5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one

C15H24N4O2 — CID 110201427

IUPAC5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one
SMILESCCn1cc(C(=O)N2CCCCCCNC(=O)CC2)cn1
InChIInChI=1S/C15H24N4O2/c1-2-19-12-13(11-17-19)15(21)18-9-6-4-3-5-8-16-14(20)7-10-18/h11-12H,2-10H2,1H3,(H,16,20)
InChIKeyNSHRTLDPMNZNQO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.43
Rot. Bonds2

About 5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one

5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one (PubChem CID 110201427) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one
PubChem CID110201427
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one
SMILESCCn1cc(C(=O)N2CCCCCCNC(=O)CC2)cn1
InChIInChI=1S/C15H24N4O2/c1-2-19-12-13(11-17-19)15(21)18-9-6-4-3-5-8-16-14(20)7-10-18/h11-12H,2-10H2,1H3,(H,16,20)
InChIKeyNSHRTLDPMNZNQO-UHFFFAOYSA-N
XLogP1.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide
CID 19290567
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 35276265
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 39891826
N-methyl-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide
CID 45831942
N-(3-methoxypropyl)-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
CID 53544420
N-cyclopropyl-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
CID 53549213
4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 53561748
N-cyclohexyl-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
CID 53576139
1-methyl-N-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 75461476
1-[(1-Propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 95817242
[(1R)-1-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
CID 177377105
N-((2S,4S)-1-((4-aminopiperidin-1-yl)sulfonyl)-2-methylpiperidin-4-yl)-1-cyclopropyl-1H-pyrazole-4-carboxamide
CID 132219927

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one (CID 110201427) is 5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one is CCn1cc(C(=O)N2CCCCCCNC(=O)CC2)cn1.
What is the InChIKey of 5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one?
The InChIKey is NSHRTLDPMNZNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-19-12-13(11-17-19)15(21)18-9-6-4-3-5-8-16-14(20)7-10-18/h11-12H,2-10H2,1H3,(H,16,20).
What are the key properties of 5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one?
5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).